one question about molecular dynamic

Queries about input and output files, running specific calculations, etc.


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weiwei sun

one question about molecular dynamic

#1 Post by weiwei sun » Wed Feb 08, 2012 4:20 pm

hello everyone,

I have one question about how to get accurate local moment in MD.

Since we have 0k structure, we plan to use NVT first and NVE to heat it up to high T and get the local moment.

Is that possible?


thanks
best
Last edited by weiwei sun on Wed Feb 08, 2012 4:20 pm, edited 1 time in total.

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Re: one question about molecular dynamic

#2 Post by support_vasp » Thu Sep 12, 2024 8:38 am

Hi,

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